[2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C16H26N3O2+ — CID 8907146

IUPAC[2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC[NH+](CC(=O)NCc1ccccc1)CC(=O)NC(C)C
InChIInChI=1S/C16H25N3O2/c1-4-19(12-16(21)18-13(2)3)11-15(20)17-10-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3,(H,17,20)(H,18,21)/p+1
InChIKeyDOZUYRRCBGVWRN-UHFFFAOYSA-O
MW292.40 g/mol
LogP-0.27
Rot. Bonds8

About [2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

[2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 8907146) has the molecular formula C16H26N3O2+ and a molecular weight of 292.40 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID8907146
Molecular FormulaC16H26N3O2+
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name[2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC[NH+](CC(=O)NCc1ccccc1)CC(=O)NC(C)C
InChIInChI=1S/C16H25N3O2/c1-4-19(12-16(21)18-13(2)3)11-15(20)17-10-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3,(H,17,20)(H,18,21)/p+1
InChIKeyDOZUYRRCBGVWRN-UHFFFAOYSA-O
XLogP-0.27
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8792952
ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8906695
ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907288
ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium
CID 9465124
[2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907070
N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 60971680
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
CID 9432990
N-benzyl-4,4-difluorobutanamide
CID 132965820
(3R)-3-acetamido-N-benzyl-3-hydroxypropanamide
CID 171785861
3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
(4-cyanophenyl)methyl-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8792659
N-benzyl-3-oxopentanamide
CID 10632061

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of [2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 8907146) is [2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CC[NH+](CC(=O)NCc1ccccc1)CC(=O)NC(C)C.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is DOZUYRRCBGVWRN-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H25N3O2/c1-4-19(12-16(21)18-13(2)3)11-15(20)17-10-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3,(H,17,20)(H,18,21)/p+1.
What are the key properties of [2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
[2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 292.40 g/mol, XLogP of -0.27, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 8907146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).